![CAS 2130906-05-5 1-(1H-Indol-3-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/i1126-jpgcontextbwfzdgvyfhjvb3r8mzc3mdb8aw1hz2uvanblz3xoztqvady5lzg5mzeymdexmjizmzqvstexmjyuanbnfdzizmy2zwqxztnimmjkzdjjmdc3nty3yjqzmgzhztizntnlowjjodq0y2fmnda3zduzyti4ytq5yzm4nwyznji.jpeg)
CAS RN: 2130906-05-5
1-(1H-Indol-3-yl)-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-101745
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2130906-05-5 / 1-(1H-indol-3-yl)-1lambda3,2-benziodoxol-3-one
Basic Information
CAS
2130906-05-5
Multi CAS
No
Molecular Formula
C15H10INO2
Molecular Weight
363.150000
Exact Mass
362.975630
SMILES
C1=CC=C2C(=C1)C(=CN2)I3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C15H10INO2/c18-15-11-6-1-3-7-12(11)16(19-15)13-9-17-14-8-4-2-5-10(13)14/h1-9,17H
InChIKey
YDVSRLORXIDFGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.57
TPSA
42.09
LogP / Solubility
WLOGP
3.8
MLOGP
3.36
XLogP3
4.3
Consensus LogP
3.82
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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